(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide

C11H24N4O2 — CID 83110554

IUPAC(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(2)5-9(7-12)6-10(16)14-3-4-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17)/t9-/m0/s1
InChIKeyHUVOJYSEQPUDBC-VIFPVBQESA-N
MW244.34 g/mol
LogP-0.22
Rot. Bonds8

About (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide

(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide (PubChem CID 83110554) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
PubChem CID83110554
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(2)5-9(7-12)6-10(16)14-3-4-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17)/t9-/m0/s1
InChIKeyHUVOJYSEQPUDBC-VIFPVBQESA-N
XLogP-0.22
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
(3S)-3-(aminomethyl)-5-methyl-N-[(E)-pent-3-enyl]hexanamide
CID 104861311
5-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-methylpentanoic acid
CID 103870685
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-5-methylhexanamide
CID 106337101
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
(3S)-3-(aminomethyl)-5-methyl-N-(2-methylsulfinylpropyl)hexanamide
CID 104865579
methyl (2S)-2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-4-methylpentanoate
CID 103954861

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide (CID 83110554) is (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)NCCNC(N)=O.
What is the InChIKey of (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide?
The InChIKey is HUVOJYSEQPUDBC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(2)5-9(7-12)6-10(16)14-3-4-15-11(13)17/h8-9H,3-7,12H2,1-2H3,(H,14,16)(H3,13,15,17)/t9-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide has a molecular weight of 244.34 g/mol, XLogP of -0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]-5-methylhexanamide is sourced from PubChem (CID 83110554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).